General Information of the Compound
| Compound ID |
CP0484340
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| Compound Name |
US10030012, Example 38
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| Structure |
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| Formula |
C20H31N3O3
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| Molecular Weight |
361.486
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| Canonical SMILES |
CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1ncccc1OC
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| InChI |
InChI=1S/C20H31N3O3/c1-3-26-20(24)23-12-5-6-17(10-15-23)22-13-8-16(9-14-22)19-18(25-2)7-4-11-21-19/h4,7,11,16-17H,3,5-6,8-10,12-15H2,1-2H3
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| InChIKey |
GWGLXRCCVIVRSY-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01198, Muscarinic acetylcholine receptor M2
Protein ID: PT01156, Muscarinic acetylcholine receptor M4